SCHEMBL5847251

SCHEMBL5847251

CCc1ncc(-c2ccc3c(c2)c(-c2nc4cc(F)ccc4[nH]2)nn3[C@@H]2CCCCO2)c(C)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.34
ATR Q13535 3/20 0.33
PRMT5 O14744 4/20 0.33
WDR77 Q9BQA1 4/20 0.33
KRAS P01116 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
GRM2 Q14416 1/20 0.32
FGFR1 P11362 1/20 0.32
DDR2 Q16832 1/20 0.32
MAP3K8 P41279 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5847254 0.80 MAP3K8 (0.36) KRASMAP3K8
SCHEMBL6508762 0.77 KRAS (0.33) ATRPRMT5WDR77KRASFGFR1
SCHEMBL6508905 0.73 ABL1 (0.32) ATRKRASFGFR1DDR2RXRA
SCHEMBL6505280 0.72 HTR2C (0.32) KRASMAP3K8RXRARXRBRXRG
SCHEMBL5846701 0.71 CDK1 (0.43) MAP3K8
SCHEMBL6503321 0.71 FGFR1 (0.33) ATRCDK9FGFR1DDR2RXRA
SCHEMBL6504036 0.71 MAP3K8 (0.33) ATRKRASMAP3K8RXRARXRB
SCHEMBL6508663 0.71 MAP3K8 (0.39) BRD4ATRKRASFGFR1DDR2
SCHEMBL6501988 0.69 HTR2C (0.32)
SCHEMBL6502580 0.68 KRAS (0.33) ATRKRASMAP3K8RXRARXRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142345-A1 3,5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-06-29 US disclosed
US-7008953-B2 3, 5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2006-03-07 US disclosed
US-20050026960-A1 3, 5 disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-02-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050026960-A1 3, 5 disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDKL3 BRD4 201/4885ATR 1196/4885PRMT5 547/4885
US-20060142345-A1 3,5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDKL3 BRD4 201/4885ATR 1196/4885PRMT5 547/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.